HRID1117516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11817675

1-(4-BROMOPHENYL)-4-METHYLPIPERAZINE

C11H15BrN2

结构：CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cn3nc(N)nc23)cc1

HCID67481417

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)cc2)CC1

HCID49839373

N-[4-(4-Methyl-1-piperazinyl)phenyl]-8-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H25F3N6O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bfca2d4faff43fc9a8271887022c45f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:25][c:26]1[cH:27][cH:28][c:29]([N:32]2[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[cH:30][cH:31]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2)[n:21][c:22]([NH2:24])[n:23]3)[cH:9][cH:10]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[n:13]([cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2)[n:21][c:22]([NH:24][c:26]2[cH:27][cH:28][c:29]([N:32]4[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]4)[cH:30][cH:31]2)[n:23]3)[cH:9][cH:10]1